(1Z)-2-amino-2-sulfanylidene-N-[4-(trifluoromethoxy)anilino]ethanimidoyl cyanide
Formula:C10H7N4OF3S
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(1Z)-2-amino-2-sulfanylidene-N-[4-(trifluoromethoxy)anilino]ethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-2-amino-2-sulfanylidene-N-[4-(trifluoromethoxy)anilino]ethanimidoyl cyanide |
| MolecularFormula | C10H7N4OF3S |
| Smiles | NC(/C(/C#N)=N\Nc(cc1)ccc1OC(F)(F)F)=S |
| InChI | InChI=1S/C10H7F3N4OS/c11-10(12,13)18-7-3-1-6(2-4-7)16-17-8(5-14)9(15)19/h1-4,16H,(H2,15,19) |
| InChIK | TYHJLVQXPFKZIB-UHFFFAOYSA-N |
| TotalMolweight | 288.253 |
| Molweight | 288.253 |
| MonoisotopicMass | 288.029265 |
| CLogP | 2.7701 |
| CLogS | -3.774 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 210.09 |
| Relative PSA | 0.42744 |
| PolarSurfaceArea | 115.52 |
| Druglikeness | -11.479 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - (1Z)-2-amino-2-sulfanylidene-N-[4-(trifluoromethoxy)anilino]ethanimidoyl cyanide | 2 - (1Z)-2-amino-2-sulfanylidene-N-[4-(trifluoromethoxy)anilino]ethanimidoyl cyanide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off